SCHEMBL3897182

SCHEMBL3897182

COc1ccc(NN=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
GAA P10253 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPSR1 Q6W5P4 2/20 0.58
MAPK1 P28482 2/20 0.58
RECQL P46063 1/20 0.58
LMNA P02545 3/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PTGS2 P35354 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CTSL P07711 1/20 0.49
CTSK P43235 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CES2 O00748 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31213402 0.95 MAPT (0.63) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL29420484 0.86 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL23817280 0.82 NPC1 (0.57) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL934433 0.81 GAA (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11655166 0.81 MAPT (0.52) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11656997 0.81 MAPT (0.60) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL935280 0.80 CTSL (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8138399 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8138395 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11656106 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557248-B2 Method of forming a carbon-heteroatom bond RHODIA CHIMIE (FR) 2009-07-07 US claimed
US-20070243999-A1 Method of Forming a Carbon-Heteroatom Bond RHODIA CHIMIE (FR) 2007-10-18 US claimed
CN-114195676-B Biarylhydrazine compound and adduct thereof and application of compound in preparation of antitumor drugs 广州药本君安医药科技股份有限公司 2022-08-05 CN disclosed
CN-114195676-A Biarylhydrazine compound and adduct thereof and application of compound in preparation of antitumor drugs 广州药本君安医药科技股份有限公司 2022-03-18 CN disclosed